Geometry & MOs

Info

ID:	283298
PubChem CID:	103972128
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	38.38
Dipole, Da:	3.09
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-2-yl)-5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2=NOC(=N2)CC3=CC=CS3

DOS

IR

Vibrations